2-[5-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-pyrrol-1-ium-1-yl]-1-(4-methylsulfonylphenyl)ethanone

Systemtic Name: 2-[5-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-pyrrol-1-ium-1-yl]-1-(4-methylsulfonylphenyl)ethanone Openeye Name: 2-[5-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-pyrrol-1-ium-1-yl]-1-(4-methylsulfonylphenyl)ethanone CAS Name: 2-[5-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-pyrrol-1-ium-1-yl]-1-(4-methylsulfonylphenyl)ethanone IUPAC Name: 2-[5-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-pyrrol-1-ium-1-yl]-1-(4-methylsulfonylphenyl)ethanone Traditional Name: 2-[2-(4-chlorobenzyl)-1-pyrrolin-1-ium-1-yl]-1-(4-mesylphenyl)ethanone Formula: C20H21ClNO3S+ MolecularWeight: 390.90364

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)C[N+]2=C(CCC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)C[N+]2=C(CCC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClNO3S/c1-26(24,25)19-10-6-16(7-11-19)20(23)14-22-12-2-3-18(22)13-15-4-8-17(21)9-5-15/h4-11H,2-3,12-14H2,1H3/q+1